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117425-98-6 | L-Methionine, L-tyrosyl-
CAS No: 117425-98-6 Catalog No: AG000EBH MDL No:
Product Description
Catalog Number:
AG000EBH
Chemical Name:
L-Methionine, L-tyrosyl-
CAS Number:
117425-98-6
Molecular Formula:
C14H20N2O4S
Molecular Weight:
312.3846
IUPAC Name:
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C14H20N2O4S/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)
InChI Key:
KYPMKDGKAYQCHO-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
312.384g/mol
Monoisotopic Mass:
312.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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